==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-MAY-09 3HG7 . COMPND 2 MOLECULE: D-ISOMER SPECIFIC 2-HYDROXYACID DEHYDROGENASE FAM . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS SALMONICIDA SUBSP. SALMONICI . AUTHOR V.N.MALASHKEVICH,R.TORO,C.MORANO,J.M.SAUDER,S.K.BURLEY,S.C.A . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 1 0 2 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A S 0 0 95 0, 0.0 2,-1.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 52.9 18.8 -47.7 5.3 2 5 A Q + 0 0 132 25,-0.1 2,-0.3 2,-0.0 25,-0.2 -0.556 360.0 21.5 69.6 -74.9 20.0 -45.7 8.5 3 6 A R E S-a 27 0A 63 23,-1.8 25,-3.2 -2,-1.3 2,-0.4 -0.899 77.2-142.2-109.7 159.1 16.7 -44.5 9.9 4 7 A T E -a 28 0A 6 -2,-0.3 43,-2.3 23,-0.2 42,-1.6 -0.975 7.9-162.5-120.1 129.4 13.3 -46.2 9.1 5 8 A L E -ab 29 47A 0 23,-3.2 25,-3.2 -2,-0.4 2,-0.5 -0.933 8.3-156.1-104.3 133.0 10.0 -44.3 8.6 6 9 A L E -ab 30 48A 0 41,-2.2 43,-2.3 -2,-0.4 2,-0.5 -0.969 4.9-149.8-110.1 130.3 6.8 -46.3 8.9 7 10 A L E +ab 31 49A 0 23,-2.2 25,-2.6 -2,-0.5 43,-0.2 -0.864 23.6 166.4 -99.3 119.9 3.7 -45.0 7.1 8 11 A L E + b 0 50A 0 41,-2.6 43,-1.4 -2,-0.5 2,-0.3 -0.540 35.0 119.9-133.0 61.8 0.5 -46.0 8.9 9 12 A S S > S- 0 0 1 41,-0.2 3,-1.9 23,-0.1 4,-0.1 -0.935 72.2-125.8-128.9 150.7 -2.1 -43.8 7.2 10 13 A Q T 3 S+ 0 0 123 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.777 119.0 54.6 -65.3 -19.8 -5.3 -44.2 5.2 11 14 A D T 3> S+ 0 0 34 1,-0.2 4,-2.9 2,-0.1 3,-0.5 0.094 71.4 126.8 -97.3 21.7 -3.4 -42.0 2.7 12 15 A N H <> + 0 0 2 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.817 69.1 54.2 -44.9 -46.3 -0.3 -44.3 2.6 13 16 A A H > S+ 0 0 58 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.940 113.2 42.7 -61.0 -43.8 -0.3 -44.7 -1.2 14 17 A H H > S+ 0 0 48 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 0.940 115.7 49.1 -66.7 -49.2 -0.2 -40.9 -1.6 15 18 A Y H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.894 110.0 51.4 -57.6 -42.8 2.4 -40.4 1.2 16 19 A E H X S+ 0 0 42 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.915 111.5 47.1 -62.4 -44.2 4.7 -43.1 -0.2 17 20 A R H X S+ 0 0 144 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.941 115.8 45.2 -59.5 -50.0 4.6 -41.5 -3.6 18 21 A L H X S+ 0 0 36 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.906 114.9 46.3 -64.0 -45.7 5.3 -38.0 -2.2 19 22 A L H < S+ 0 0 1 -4,-3.0 5,-0.4 1,-0.2 4,-0.4 0.805 110.2 53.2 -67.7 -32.9 8.0 -39.1 0.2 20 23 A K H < S+ 0 0 135 -4,-2.0 3,-0.5 -5,-0.2 -1,-0.2 0.783 108.3 52.2 -69.9 -28.3 9.8 -41.2 -2.5 21 24 A A H < S+ 0 0 82 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.817 99.6 63.8 -74.4 -30.3 9.7 -38.0 -4.7 22 25 A A S < S- 0 0 43 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.609 94.1-145.8 -71.5 -15.0 11.4 -36.0 -1.9 23 26 A H - 0 0 170 -3,-0.5 -3,-0.1 -4,-0.4 -2,-0.1 0.938 20.4-173.1 45.0 74.7 14.5 -38.1 -2.1 24 27 A L > - 0 0 21 -5,-0.4 3,-0.7 3,-0.2 -1,-0.2 -0.884 19.0-132.3 -98.8 118.6 15.5 -38.1 1.6 25 28 A P T 3 S+ 0 0 76 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.354 81.7 17.4 -74.0 154.2 18.9 -39.8 2.0 26 29 A H T 3 S+ 0 0 118 1,-0.1 -23,-1.8 -24,-0.1 2,-0.4 0.805 96.2 119.0 60.1 32.1 19.5 -42.4 4.7 27 30 A L E < -a 3 0A 14 -3,-0.7 2,-0.5 -25,-0.2 -23,-0.2 -0.928 49.8-157.9-132.9 112.6 15.7 -43.0 5.2 28 31 A R E -a 4 0A 86 -25,-3.2 -23,-3.2 -2,-0.4 2,-0.6 -0.778 16.1-150.5 -83.6 128.1 14.1 -46.4 4.6 29 32 A I E -a 5 0A 37 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.887 17.7-179.2-107.1 116.3 10.3 -45.9 4.0 30 33 A L E -a 6 0A 28 -25,-3.2 -23,-2.2 -2,-0.6 2,-0.4 -0.794 8.9-155.6-114.4 157.5 8.1 -48.7 5.0 31 34 A R E -a 7 0A 84 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.996 11.9-173.6-137.2 138.2 4.4 -48.9 4.7 32 35 A A - 0 0 0 -25,-2.6 -23,-0.1 -2,-0.4 -20,-0.1 -0.941 4.2-174.6-132.6 117.8 1.7 -50.9 6.5 33 36 A D S S+ 0 0 88 -2,-0.4 2,-0.3 -25,-0.1 -1,-0.1 0.491 74.5 29.1 -87.6 -7.9 -1.9 -50.7 5.2 34 37 A N S > S- 0 0 77 1,-0.1 4,-1.5 20,-0.0 5,-0.1 -0.900 85.4-107.0-140.5 174.5 -3.4 -52.7 8.0 35 38 A Q H > S+ 0 0 93 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.886 113.6 58.7 -70.9 -37.4 -2.7 -53.3 11.7 36 39 A S H > S+ 0 0 71 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.910 108.5 44.0 -57.5 -48.1 -1.4 -56.9 11.2 37 40 A D H >> S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 3,-0.6 0.872 111.3 56.0 -65.5 -35.1 1.3 -55.8 8.8 38 41 A A H >X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 3,-1.1 0.858 95.0 66.8 -65.9 -34.0 2.2 -52.9 11.1 39 42 A E H 3< S+ 0 0 56 -4,-2.0 4,-0.4 1,-0.3 -1,-0.2 0.844 103.6 45.7 -51.3 -40.2 2.7 -55.3 14.1 40 43 A K H << S+ 0 0 150 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.663 121.8 35.4 -77.5 -19.8 5.7 -56.8 12.3 41 44 A L H X< S+ 0 0 44 -3,-1.1 3,-1.7 -4,-0.6 4,-0.3 0.695 91.2 79.7-111.8 -23.2 7.2 -53.4 11.4 42 45 A I G >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.3 22,-0.3 0.831 86.3 62.7 -68.6 -31.6 6.6 -50.8 14.1 43 46 A G G 3 S+ 0 0 32 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.718 103.9 52.8 -61.8 -20.7 9.4 -52.0 16.4 44 47 A E G < S+ 0 0 78 -3,-1.7 2,-0.5 19,-0.1 -1,-0.3 0.517 86.8 104.9 -88.1 -7.3 11.8 -51.1 13.5 45 48 A A < + 0 0 1 -3,-1.7 19,-0.3 -4,-0.3 -40,-0.2 -0.646 37.0 176.5 -88.6 120.1 10.6 -47.5 13.0 46 49 A H S S+ 0 0 43 -42,-1.6 20,-2.6 -2,-0.5 21,-1.6 0.775 83.2 32.9 -76.5 -31.0 12.6 -44.5 14.2 47 50 A I E S-bc 5 67A 0 -43,-2.3 -41,-2.2 19,-0.2 2,-0.4 -0.967 71.7-167.0-127.1 141.2 10.0 -42.2 12.6 48 51 A L E -bc 6 68A 1 19,-2.4 21,-3.1 -2,-0.4 2,-0.5 -0.991 9.7-172.0-128.1 136.6 6.2 -42.8 12.3 49 52 A M E +bc 7 69A 0 -43,-2.3 -41,-2.6 -2,-0.4 2,-0.3 -0.985 39.0 123.2-123.2 122.2 3.7 -40.9 10.2 50 53 A A E -bc 8 70A 0 19,-1.4 21,-1.8 -2,-0.5 22,-0.4 -0.970 66.5 -86.1-163.5 163.3 0.1 -42.0 11.0 51 54 A E >> - 0 0 9 -43,-1.4 4,-1.9 -2,-0.3 3,-0.9 -0.729 47.1-121.4 -78.5 138.9 -3.4 -41.2 12.2 52 55 A P H 3> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.892 110.4 55.2 -48.0 -47.6 -3.3 -41.2 16.0 53 56 A A H 34 S+ 0 0 74 1,-0.2 22,-0.0 2,-0.2 0, 0.0 0.793 109.1 48.5 -61.1 -29.2 -6.1 -43.9 16.2 54 57 A R H <4 S+ 0 0 65 -3,-0.9 -1,-0.2 -46,-0.2 4,-0.2 0.879 114.9 42.6 -78.5 -33.6 -4.0 -46.2 14.0 55 58 A A H >X S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-1.2 0.846 96.3 79.4 -74.9 -36.3 -0.8 -45.8 15.9 56 59 A K G >< S+ 0 0 63 -4,-2.5 3,-0.5 1,-0.3 4,-0.4 0.799 93.0 45.5 -47.5 -47.8 -2.3 -46.1 19.3 57 60 A P G 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.616 119.0 44.5 -70.5 -13.1 -2.7 -49.9 19.6 58 61 A L G X4 S+ 0 0 0 -3,-2.1 3,-1.8 -4,-0.2 4,-0.4 0.557 86.1 94.1-102.9 -11.3 0.8 -50.4 18.2 59 62 A L G X< S+ 0 0 4 -4,-1.2 3,-1.6 -3,-0.5 6,-0.1 0.801 74.8 61.6 -61.9 -36.3 2.6 -47.8 20.3 60 63 A A G 3 S+ 0 0 83 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.757 106.3 50.0 -60.5 -22.7 3.8 -50.1 23.1 61 64 A K G < S+ 0 0 104 -3,-1.8 2,-2.3 1,-0.1 -1,-0.3 0.539 82.7 97.4 -87.4 -8.7 5.8 -52.0 20.4 62 65 A A X + 0 0 0 -3,-1.6 3,-1.3 -4,-0.4 -19,-0.1 -0.370 42.2 151.4 -82.1 60.7 7.4 -48.8 19.0 63 66 A N T 3 S+ 0 0 113 -2,-2.3 -1,-0.2 1,-0.3 -20,-0.1 0.443 70.2 45.6 -82.5 1.1 10.6 -49.3 21.0 64 67 A K T 3 S+ 0 0 112 -22,-0.3 -1,-0.3 -19,-0.3 2,-0.2 0.282 83.9 131.4-111.1 3.4 12.9 -47.5 18.5 65 68 A L < + 0 0 12 -3,-1.3 -19,-0.2 1,-0.2 -18,-0.2 -0.445 17.3 156.9 -72.5 126.3 10.5 -44.6 18.0 66 69 A S + 0 0 54 -20,-2.6 22,-2.7 1,-0.3 2,-0.3 0.634 68.7 21.6-109.7 -39.2 12.0 -41.1 18.3 67 70 A W E -cd 47 88A 0 -21,-1.6 -19,-2.4 20,-0.2 2,-0.5 -0.971 56.0-170.7-145.6 126.2 9.5 -38.9 16.3 68 71 A F E -cd 48 89A 0 20,-2.8 22,-2.5 -2,-0.3 2,-0.8 -0.973 8.9-160.6-117.3 114.6 5.8 -39.4 15.4 69 72 A Q E -cd 49 90A 0 -21,-3.1 -19,-1.4 -2,-0.5 2,-0.2 -0.905 15.0-147.1 -93.0 109.7 4.3 -37.0 12.9 70 73 A S E -c 50 0A 0 20,-3.0 -19,-0.2 -2,-0.8 5,-0.1 -0.513 7.3-148.2 -70.2 143.4 0.5 -37.2 13.3 71 74 A T S S+ 0 0 2 -21,-1.8 2,-0.3 -2,-0.2 -20,-0.2 0.488 80.5 67.0 -89.9 -4.6 -1.5 -36.6 10.0 72 75 A Y S S- 0 0 87 -22,-0.4 20,-0.7 2,-0.1 -2,-0.1 -0.844 77.7-135.3-116.0 153.4 -4.3 -35.0 12.1 73 76 A A S S+ 0 0 46 -2,-0.3 2,-0.4 18,-0.2 -1,-0.1 0.903 91.6 73.8 -67.2 -39.7 -4.5 -31.9 14.2 74 77 A G + 0 0 38 1,-0.1 -2,-0.1 17,-0.1 -3,-0.1 -0.648 46.5 158.1 -85.2 128.0 -6.2 -33.8 17.0 75 78 A V > + 0 0 8 -2,-0.4 3,-2.6 1,-0.1 4,-0.4 0.148 29.5 124.4-131.2 14.4 -3.9 -36.1 19.0 76 79 A D G > + 0 0 79 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.799 67.2 64.2 -53.2 -31.7 -5.9 -36.4 22.3 77 80 A V G 3 S+ 0 0 66 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.731 100.0 55.2 -65.3 -17.7 -6.0 -40.2 22.1 78 81 A L G < S+ 0 0 0 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.478 93.3 67.9 -92.3 -4.4 -2.1 -40.1 22.5 79 82 A L S < S+ 0 0 55 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.433 70.0 131.1 -93.3 -2.2 -2.2 -38.1 25.7 80 83 A D > - 0 0 37 -3,-0.4 3,-2.0 -4,-0.3 -3,-0.0 -0.278 66.5-129.3 -49.1 129.9 -3.8 -41.0 27.5 81 84 A A T 3 S+ 0 0 92 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.700 107.0 63.7 -59.2 -22.6 -1.8 -41.6 30.7 82 85 A R T 3 S+ 0 0 218 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.666 90.2 87.8 -74.2 -19.7 -1.5 -45.3 29.7 83 86 A C S < S- 0 0 21 -3,-2.0 -27,-0.0 1,-0.1 -5,-0.0 -0.557 84.5-103.6 -87.9 149.5 0.6 -44.4 26.6 84 87 A R - 0 0 51 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.212 22.8-169.4 -62.2 153.6 4.3 -43.9 26.4 85 88 A R + 0 0 105 1,-0.1 2,-0.6 -4,-0.1 224,-0.1 0.131 52.4 111.8-131.2 19.8 5.8 -40.4 26.2 86 89 A D S S+ 0 0 103 2,-0.1 2,-0.3 -21,-0.0 -1,-0.1 -0.220 71.0 57.8 -96.4 42.7 9.4 -41.3 25.3 87 90 A Y S S- 0 0 17 -2,-0.6 2,-0.6 -3,-0.1 -20,-0.2 -0.953 89.5 -94.1-156.3 167.6 9.3 -39.8 21.8 88 91 A Q E -d 67 0A 56 -22,-2.7 -20,-2.8 -2,-0.3 2,-0.5 -0.828 36.0-163.1 -93.4 122.4 8.5 -36.4 20.1 89 92 A L E +d 68 0A 0 -2,-0.6 218,-3.1 218,-0.5 2,-0.3 -0.915 9.4 179.9-103.7 129.7 5.0 -36.1 18.9 90 93 A T E -dE 69 306A 0 -22,-2.5 -20,-3.0 -2,-0.5 216,-0.2 -0.955 7.0-162.1-120.8 149.6 4.0 -33.4 16.3 91 94 A N - 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